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265 related items for PubMed ID: 20941733
21. Parameterization of the Hamiltonian Dielectric Solvent (HADES) Reaction-Field Method for the Solvation Free Energies of Amino Acid Side-Chain Analogs. Zachmann M, Mathias G, Antes I. Chemphyschem; 2015 Jun 08; 16(8):1739-49. PubMed ID: 25820235 [Abstract] [Full Text] [Related]
25. Applicability of a continuum solvation model to the octanol water transfer: CFF91 based model for amino acids. Schmidt AB, Fine RM. Biopolymers; 1995 Nov 08; 36(5):599-605. PubMed ID: 7578951 [Abstract] [Full Text] [Related]
26. In silico prediction of drug solubility: 4. Will simple potentials suffice? Lüder K, Lindfors L, Westergren J, Nordholm S, Persson R, Pedersen M. J Comput Chem; 2009 Sep 08; 30(12):1859-71. PubMed ID: 19115279 [Abstract] [Full Text] [Related]
28. Combining the polarizable Drude force field with a continuum electrostatic Poisson-Boltzmann implicit solvation model. Aleksandrov A, Lin FY, Roux B, MacKerell AD. J Comput Chem; 2018 Aug 15; 39(22):1707-1719. PubMed ID: 29737546 [Abstract] [Full Text] [Related]
33. Calculation of the water-cyclohexane transfer free energies of neutral amino acid side-chain analogs using the OPLS all-atom force field. MacCallum JL, Tieleman DP. J Comput Chem; 2003 Nov 30; 24(15):1930-5. PubMed ID: 14515375 [Abstract] [Full Text] [Related]
35. Determination of atomic desolvation energies from the structures of crystallized proteins. Zhang C, Vasmatzis G, Cornette JL, DeLisi C. J Mol Biol; 1997 Apr 04; 267(3):707-26. PubMed ID: 9126848 [Abstract] [Full Text] [Related]
36. Communication: Free-energy analysis of hydration effect on protein with explicit solvent: equilibrium fluctuation of cytochrome c. Karino Y, Matubayasi N. J Chem Phys; 2011 Jan 28; 134(4):041105. PubMed ID: 21280680 [Abstract] [Full Text] [Related]
37. New approach to free energy of solvation applying continuum models to molecular dynamics simulation. Gonçalves PF, Stassen H. J Comput Chem; 2002 May 28; 23(7):706-14. PubMed ID: 11948588 [Abstract] [Full Text] [Related]
39. Application of the frozen atom approximation to the GB/SA continuum model for solvation free energy. Guvench O, Weiser J, Shenkin P, Kolossváry I, Still WC. J Comput Chem; 2002 Jan 30; 23(2):214-21. PubMed ID: 11924735 [Abstract] [Full Text] [Related]